1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione

C15H18N2O3 — CID 106901068

IUPAC1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCc1ccc(CN2C(=O)NC(=O)C(C)(C)C2=O)cc1
InChIInChI=1S/C15H18N2O3/c1-4-10-5-7-11(8-6-10)9-17-13(19)15(2,3)12(18)16-14(17)20/h5-8H,4,9H2,1-3H3,(H,16,18,20)
InChIKeyBHYDGXYZOZRNMM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.85
Rot. Bonds3

About 1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione

1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 106901068) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID106901068
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCc1ccc(CN2C(=O)NC(=O)C(C)(C)C2=O)cc1
InChIInChI=1S/C15H18N2O3/c1-4-10-5-7-11(8-6-10)9-17-13(19)15(2,3)12(18)16-14(17)20/h5-8H,4,9H2,1-3H3,(H,16,18,20)
InChIKeyBHYDGXYZOZRNMM-UHFFFAOYSA-N
XLogP1.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(4-ethylphenyl)methyl]imidazolidine-2,4,5-trione
CID 106900584
1-[(2,4-difluorophenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 115947831
2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one
CID 145459681
1-benzyl-5-phenyl-5-sulfanyl-1,3-diazinane-2,4,6-trione
CID 22149443
1-[(4-ethylphenyl)methyl]piperidine-2,6-dione
CID 82128665
5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 114185364
8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946514
3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5200341
5,5-diethyl-1-(pyridin-3-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115946533
1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
CID 64873808
5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 112599943
(5S)-5-(2,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7801183

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione (CID 106901068) is 1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione is CCc1ccc(CN2C(=O)NC(=O)C(C)(C)C2=O)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is BHYDGXYZOZRNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-10-5-7-11(8-6-10)9-17-13(19)15(2,3)12(18)16-14(17)20/h5-8H,4,9H2,1-3H3,(H,16,18,20).
What are the key properties of 1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 274.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 106901068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).